24小时热门版块排行榜

返回列表

当前主题已经存档。

guopeng8372

木虫 (著名写手)

应助: 0 (幼儿园)
金币: 4112.3
散金: 1486
红花: 1
帖子: 1415
在线: 420.1小时
虫号: 557463
注册: 2008-05-12
性别: GG
专业: 配位化学

[交流] 求CrB4的cif文件

求CrB4的cif文件

回复此楼

» 猜你喜欢

单晶单晶快出来

1楼 2009-02-17 22:13:21

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

xi2004

至尊木虫 (职业作家)

CMEI: 10
应助: 125 (高中生)
金币: 16770.9
散金: 12393
红花: 222
帖子: 4161
在线: 436.9小时
虫号: 354550
注册: 2007-04-24
专业: 结构化学

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
warlen(金币+2,VIP+0):3q 2-18 09:12
guopeng8372(金币+10,VIP+0):非常感谢牛人 2-18 11:39

引用回帖:

Originally posted by guopeng8372 at 2009-2-17 22:13:
求CrB4的cif文件

看是否你想要的.

data_24353-ICSD
#?2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD             24353
_audit_creation_date             1980/01/01
_audit_update_record             2006/10/01
_chemical_name_systematic       'Chromium Boride (1/4)'
_chemical_formula_structural    'Cr B4'
_chemical_formula_sum             'B4 Cr1'
_publ_section_title             'The crystal structure of Cr B4'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Chemica Scandinavica (1-27,1973-42,1988)' 1968 22 3103 3110 ACSAA4
_publ_author_name                'Andersson, S.;Lundstroem, T.'
_cell_length_a                   4.7441(3)
_cell_length_b                   5.4773(3)
_cell_length_c                   2.8659(1)
_cell_angle_alpha                90.
_cell_angle_beta                90.
_cell_angle_gamma                90.
_cell_volume                      74.47
_cell_formula_units_Z             2
_symmetry_space_group_name_H-M    'I m m m'
_symmetry_Int_Tables_number       71
_refine_ls_R_factor_all          .071
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1 'x, y, -z'
  2 'x, -y, z'
  3 '-x, y, z'
  4 '-x, -y, -z'
  5 '-x, -y, z'
  6 '-x, y, -z'
  7 'x, -y, -z'
  8 'x, y, z'
  9 'x+.5, y+.5, -z+.5'
10 'x+.5, -y+.5, z+.5'
11 '-x+.5, y+.5, z+.5'
12 '-x+.5, -y+.5, -z+.5'
13 '-x+.5, -y+.5, z+.5'
14 '-x+.5, y+.5, -z+.5'
15 'x+.5, -y+.5, -z+.5'
16 'x+.5, y+.5, z+.5'
loop_
_atom_type_symbol
_atom_type_oxidation_number
B0+ 0
Cr0+ 0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_B_iso_or_equiv
Cr1 Cr0+ 2 a 0 0 0 1. 0 0.18
B1 B0+ 8 n 0.1751(37) 0.3455(40) 0 1. 0 0.51

#End of data_24353-ICSD